# generated using pymatgen
data_Ba5(AsPd)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38576492
_cell_length_b   9.35733692
_cell_length_c   20.49122536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5(AsPd)6
_chemical_formula_sum   'Ba10 As12 Pd12'
_cell_volume   840.94103757
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.50000000  0.99558410  0.68476257  1.0
  Ba  Ba1  1  0.00000000  0.00132732  0.12670279  1.0
  Ba  Ba2  1  0.50000000  0.49558410  0.31523743  1.0
  Ba  Ba3  1  0.50000000  0.50441590  0.68476257  1.0
  Ba  Ba4  1  0.00000000  0.99867268  0.87329721  1.0
  Ba  Ba5  1  0.50000000  0.00441590  0.31523743  1.0
  Ba  Ba6  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba7  1  0.00000000  0.49867268  0.12670279  1.0
  Ba  Ba8  1  0.00000000  0.50132732  0.87329721  1.0
  Ba  Ba9  1  0.00000000  0.50000000  0.50000000  1.0
  As  As10  1  0.50000000  0.75000000  0.55975100  1.0
  As  As11  1  0.00000000  0.75000000  0.24981076  1.0
  As  As12  1  0.00000000  0.25000000  0.75018924  1.0
  As  As13  1  0.50000000  0.75000000  0.06882254  1.0
  As  As14  1  0.00000000  0.25000000  0.25080810  1.0
  As  As15  1  0.50000000  0.25000000  0.93117746  1.0
  As  As16  1  0.50000000  0.25000000  0.06678044  1.0
  As  As17  1  0.50000000  0.75000000  0.93321956  1.0
  As  As18  1  0.00000000  0.75000000  0.74919190  1.0
  As  As19  1  0.00000000  0.75000000  0.37554568  1.0
  As  As20  1  0.00000000  0.25000000  0.62445432  1.0
  As  As21  1  0.50000000  0.25000000  0.44024900  1.0
  Pd  Pd22  1  0.00000000  0.75000000  0.62411878  1.0
  Pd  Pd23  1  0.50000000  0.25000000  0.19077045  1.0
  Pd  Pd24  1  0.50000000  0.25000000  0.56469860  1.0
  Pd  Pd25  1  0.00000000  0.25000000  0.37588122  1.0
  Pd  Pd26  1  0.50000000  0.25000000  0.80680690  1.0
  Pd  Pd27  1  0.00000000  0.25000000  0.99901986  1.0
  Pd  Pd28  1  0.50000000  0.75000000  0.80922955  1.0
  Pd  Pd29  1  0.50000000  0.75000000  0.19319310  1.0
  Pd  Pd30  1  0.00000000  0.75000000  0.00098014  1.0
  Pd  Pd31  1  0.50000000  0.00000000  0.00000000  1.0
  Pd  Pd32  1  0.50000000  0.50000000  0.00000000  1.0
  Pd  Pd33  1  0.50000000  0.75000000  0.43530140  1.0